Multipole-Based Force Fields from ab Initio Interaction Energies and the Need for Jointly Refitting All Intermolecular Parameters
Author:
Affiliation:
1. Novartis Institutes for BioMedical Research, Basel, Switzerland
2. Department of Chemistry, University of Basel, Klingelbergstrasse 80, 4056 Basel, Switzerland
3. Novartis Institutes for Tropical Diseases, Singapore
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct300888f
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